6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine

C13H18N6 — CID 80825561

IUPAC6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2cnc(C)cn2)c1C
InChIInChI=1S/C13H18N6/c1-4-14-12-10(3)13(19-8-18-12)17-7-11-6-15-9(2)5-16-11/h5-6,8H,4,7H2,1-3H3,(H2,14,17,18,19)
InChIKeyHYEXWRYUIQWOSK-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.93
Rot. Bonds5

About 6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80825561) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80825561
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2cnc(C)cn2)c1C
InChIInChI=1S/C13H18N6/c1-4-14-12-10(3)13(19-8-18-12)17-7-11-6-15-9(2)5-16-11/h5-6,8H,4,7H2,1-3H3,(H2,14,17,18,19)
InChIKeyHYEXWRYUIQWOSK-UHFFFAOYSA-N
XLogP1.93
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80805111
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 105369387
N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 118317173
3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72882715
6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82874582
2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,6-diamine
CID 80825043
N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598850
6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 80971459
4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80765162
6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 80825317
2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785046
4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 103466542

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine (CID 80825561) is 6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine is CCNc1ncnc(NCc2cnc(C)cn2)c1C.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is HYEXWRYUIQWOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-4-14-12-10(3)13(19-8-18-12)17-7-11-6-15-9(2)5-16-11/h5-6,8H,4,7H2,1-3H3,(H2,14,17,18,19).
What are the key properties of 6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 258.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80825561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).